Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004058
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article14 compound
IUPAC Name6,7-diethoxy-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
FormulaC19H20FN3O2
Mass341.3794
Exact Mass341.1539551
Composition C (66.85%), H (5.91%), F (5.57%), N (12.31%), O (9.37%)
Atom Count45
PI12.3
Smilesc1(c(cc2c(c1)c(ncn2)NCc1ccc(cc1)F)OCC)OCC
InChI1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H
,3-4,11H2,1-2H3,(H,21,22,23)
InChIKeyDEBQVAUIPWIBMA-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference16279804
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 11703562
Drug Bank Link -
ChemSpider Link 9878285
ChEMBL Link CHEMBL390283
 
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